SCHEMBL2372504

SCHEMBL2372504

Cc1c(-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc2c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.69
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NLRP3 Q96P20 1/20 0.52
PTGFR P43088 3/20 0.52
TSHR P16473 1/20 0.50
PDE10A Q9Y233 1/20 0.50
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2373037 0.92 DHODH (0.70) DHODHCYP2C9KDM4ELMNACYP1A2
SCHEMBL2373344 0.91 DHODH (0.82) DHODHPTGFRTSHRPDE10A
SCHEMBL2373435 0.89 DHODH (0.57) DHODHCYP2C9GAAKDM4ELMNA
SCHEMBL2372739 0.88 DHODH (0.71) DHODHPDE10A
SCHEMBL2373103 0.88 DHODH (0.70) DHODHCYP2C9ALDH1A1KDM4ECYP1A2
SCHEMBL2372855 0.86 DHODH (0.71) DHODHPTGFRTSHRPDE10A
SCHEMBL2373336 0.86 DHODH (0.62) DHODHPTGFRTSHRPDE10A
SCHEMBL2373114 0.86 DHODH (0.62) DHODHPTGFRTSHRPDE10A
SCHEMBL2372240 0.85 DHODH (0.53) DHODHCYP2C9ALDH1A1KDM4ELMNA
SCHEMBL2373074 0.85 DHODH (0.57) DHODHCYP2C9ALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed